SCHEMBL18911845

SCHEMBL18911845

CN(CCO)CCCN=C=S

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.52
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
BACH1 O14867 2/20 0.45
MAFK O60675 2/20 0.45
NAAA Q02083 1/20 0.42
TRPA1 O75762 8/20 0.41
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
EGFR P00533 1/20 0.37
PTGS2 P35354 1/20 0.37
GSK3B P49841 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18937400 0.79 NAAA (0.50) MIFMAOAMAOBBACH1MAFK
SCHEMBL18911939 0.77 NAAA (0.44) MIFMAOAMAOBBACH1MAFK
SCHEMBL5911193 0.76 MAPT (0.39) MAPT
SCHEMBL1267765 0.76
SCHEMBL18889093 0.73
SCHEMBL7849316 0.72 MAPT (0.50) ALDH1A1LMNATP53MAPT
SCHEMBL18912243 0.72 MAOA (0.41) MIFMAOAMAOBBACH1MAFK
SCHEMBL18911937 0.71 MAOA (0.38) MIFMAOAMAOBBACH1MAFK
SCHEMBL5098117 0.71
SCHEMBL18912051 0.71 NAAA (0.61) MIFMAOAMAOBBACH1MAFK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152222-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE THE PROCTER & GAMBLE COMPANY 2017-06-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170152222-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE CRAT, CPT1A, CPT1B MIF 647/4885MAOA 40/4885MAOB 48/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.